2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide

C11H20N4O2S2 — CID 18202822

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCNc1nnc(SCC(=O)NCCCOC(C)C)s1
InChIInChI=1S/C11H20N4O2S2/c1-8(2)17-6-4-5-13-9(16)7-18-11-15-14-10(12-3)19-11/h8H,4-7H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyVLSGPBOUDPOXFV-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.60
Rot. Bonds9

About 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide

2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 18202822) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID18202822
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCNc1nnc(SCC(=O)NCCCOC(C)C)s1
InChIInChI=1S/C11H20N4O2S2/c1-8(2)17-6-4-5-13-9(16)7-18-11-15-14-10(12-3)19-11/h8H,4-7H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyVLSGPBOUDPOXFV-UHFFFAOYSA-N
XLogP1.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 110186338
2-[[5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24574236
ethyl 4-[[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]butanoate
CID 16516201
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 16500089
2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8870091
N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30932888
N-(3-phenylpropyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501953
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 38009327
2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8577894
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-phenylmethoxypropyl)acetamide
CID 25493457
N-butyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2617357

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide (CID 18202822) is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide is CNc1nnc(SCC(=O)NCCCOC(C)C)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is VLSGPBOUDPOXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-8(2)17-6-4-5-13-9(16)7-18-11-15-14-10(12-3)19-11/h8H,4-7H2,1-3H3,(H,12,14)(H,13,16).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 18202822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).